SCHEMBL3419635

SCHEMBL3419635

CC(C)/C=C/C(=O)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA2 P00918 1/20 0.39
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3419638 1.00 ALDH1A1 (0.48) ALDH1A1TDP1CA2GABRPGABRD
SCHEMBL3508977 1.00 ALDH1A1 (0.48) ALDH1A1TDP1CA2GABRPGABRD
SCHEMBL7941358 0.79 ALDH1A1 (0.37) ALDH1A1TDP1CA2SMN1; SMN2NPC1
SCHEMBL7941360 0.79 ALDH1A1 (0.37) ALDH1A1TDP1CA2SMN1; SMN2NPC1
SCHEMBL4480017 0.77
SCHEMBL17037874 0.77
SCHEMBL4483305 0.77
SCHEMBL18161623 0.77
SCHEMBL9571020 0.77
SCHEMBL4483304 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1072673-A2 Perfume compositions THE PROCTER & GAMBLE COMPANY (US) 2001-01-31 EP claimed
WO-2001005919-A2 PERFUME COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 WO claimed
EP-3096839-B1 SCENTED BODY COMPOSITIONS MAORI S C LTD (IL) 2021-08-11 EP disclosed
CN-106132487-B Body perfuming composition 毛利人南卡罗来纳州有限公司 2020-04-07 CN disclosed
US-9943469-B2 Scented body compositions MAORI S.C. LTD. (IL) 2018-04-17 US disclosed
EP-3096839-A1 SCENTED BODY COMPOSITIONS Maori S.C. Ltd. (IL) 2016-11-30 EP disclosed
US-20160338915-A1 SCENTED BODY COMPOSITIONS AMKIRI LTD (IL) 2016-11-24 US disclosed
WO-2015111060-A1 SCENTED BODY COMPOSITIONS MAORI S.C. LTD. (IL) 2015-07-30 WO disclosed
EP-2167463-B1 CYSTEINE DERIVATIVES WHICH COUNTERACT MALODOUR GIVAUDAN SA (CH) 2013-06-12 EP disclosed
US-7846887-B2 Cysteine derivatives which counteract malodour GIVAUDAN SA (CH) 2010-12-07 US disclosed
US-20100179088-A1 Cysteine Derivatives Which Counteract Malodour GIVAUDAN SA (CH) 2010-07-15 US disclosed
EP-2167463-A1 CYSTEINE DERIVATIVES WHICH COUNTERACT MALODOUR Givaudan SA (CH) 2010-03-31 EP disclosed
WO-2008154765-A1 CYSTEINE DERIVATIVES WHICH COUNTERACT MALODOUR GIVAUDAN SA (CH) 2008-12-24 WO disclosed
CN-1361817-A Perfume compositions PROCTER & GAMBLE (US) 2002-07-31 CN disclosed
EP-1072673-A2 Perfume compositions THE PROCTER & GAMBLE COMPANY (US) 2001-01-31 EP disclosed
WO-2001005919-A2 PERFUME COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 WO disclosed
EP-0705812-B1 Method for producing cyclopentadienes NIPPON PETROCHEMICALS CO LTD (JP) 1998-12-16 EP disclosed
EP-0705812-A1 Method for producing cyclopentadienes NIPPON PETROCHEMICALS CO., LTD. (JP) 1996-04-10 EP disclosed
EP-0141569-A2 Perfumery compounds and their preparation BUSH BOAKE ALLEN Limited (GB) 1985-05-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100179088-A1 Cysteine Derivatives Which Counteract Malodour CBR3, CBR1, GSR ALDH1A1 199/4885TDP1 4744/4885CA2 3366/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.